O1-ethyl O3-methyl 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioate Openeye Name: O1-ethyl O3-methyl 2-benzyl-2-(2-cyanoethyl)propanedioate CAS Name: 2-(2-cyanoethyl)-2-(phenylmethyl)propanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-benzyl-2-(2-cyanoethyl)propanedioate Traditional Name: 2-benzyl-2-(2-cyanoethyl)malonic acid O1-ethyl ester O3-methyl ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC#N)(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCOC(=O)C(CCC#N)(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C16H19NO4/c1-3-21-15(19)16(10-7-11-17,14(18)20-2)12-13-8-5-4-6-9-13/h4-6,8-9H,3,7,10,12H2,1-2H3